(2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine

C8H16NPS — CID 134516477

IUPAC(2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/CCSP)NC
InChIInChI=1S/C8H16NPS/c1-3-8(9-2)6-4-5-7-11-10/h3-4,6,9H,5,7,10H2,1-2H3/b6-4-,8-3+
InChIKeyLPHOJZABEYHQCJ-MROOEUIUSA-N
MW189.26 g/mol
LogP2.58
Rot. Bonds5

About (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine

(2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine (PubChem CID 134516477) has the molecular formula C8H16NPS and a molecular weight of 189.26 g/mol. Its IUPAC name is (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine
PubChem CID134516477
Molecular FormulaC8H16NPS
Molecular Weight189.26 g/mol
Exact Mass189.07
IUPAC Name(2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/CCSP)NC
InChIInChI=1S/C8H16NPS/c1-3-8(9-2)6-4-5-7-11-10/h3-4,6,9H,5,7,10H2,1-2H3/b6-4-,8-3+
InChIKeyLPHOJZABEYHQCJ-MROOEUIUSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine (CID 134516477) is (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine is C/C=C(\C=C/CCSP)NC.
What is the InChIKey of (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine?
The InChIKey is LPHOJZABEYHQCJ-MROOEUIUSA-N. The full InChI is InChI=1S/C8H16NPS/c1-3-8(9-2)6-4-5-7-11-10/h3-4,6,9H,5,7,10H2,1-2H3/b6-4-,8-3+.
What are the key properties of (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine?
(2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine has a molecular weight of 189.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methyl-7-phosphanylsulfanylhepta-2,4-dien-3-amine is sourced from PubChem (CID 134516477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).